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eF-site ID
|
6qxu-A |
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PDB Code
|
6qxu |
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Chain
|
A |
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click to enlarge
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Title
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Human TNKS1 in complex with 6,8-Difluoro-2-[4-(1-hydroxy-1-methyl-ethyl)-phenyl]-3H-quinazolin-4-one |
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Classification
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TRANSFERASE/TRANSFERASE INHIBITOR |
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Compound
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Poly [ADP-ribose] polymerase tankyrase-1 |
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Source
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(TNKS1_HUMAN) |
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Sequence
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A: |
GTILLDLAPEDKEYQSVEEEMQSTIREHRDGGNAGGIFNR
YNVIRIQKVVNKKLRERFCHRQKEVSEENHNHHNERMLFH
GSPFINAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQY
VYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSFLQFS
TMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPEY
LITYQIMKP
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Description
|
(1) |
Poly [ADP-ribose] polymerase tankyrase-1 (E.C.2.4.2.30,2.4.2.-)
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Functional site
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|
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1)
|
chain |
A |
| residue |
1163 |
| type |
|
| sequence |
C
|
| description |
binding site for residue BME A 1401
|
| source |
: AC1
|
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2)
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chain |
A |
| residue |
1166 |
| type |
|
| sequence |
Q
|
| description |
binding site for residue BME A 1401
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| source |
: AC1
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3)
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chain |
A |
| residue |
1184 |
| type |
|
| sequence |
H
|
| description |
binding site for residue JKN A 1402
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| source |
: AC2
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|
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4)
|
chain |
A |
| residue |
1185 |
| type |
|
| sequence |
G
|
| description |
binding site for residue JKN A 1402
|
| source |
: AC2
|
|
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5)
|
chain |
A |
| residue |
1188 |
| type |
|
| sequence |
F
|
| description |
binding site for residue JKN A 1402
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| source |
: AC2
|
|
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6)
|
chain |
A |
| residue |
1203 |
| type |
|
| sequence |
Y
|
| description |
binding site for residue JKN A 1402
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| source |
: AC2
|
|
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7)
|
chain |
A |
| residue |
1213 |
| type |
|
| sequence |
Y
|
| description |
binding site for residue JKN A 1402
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| source |
: AC2
|
|
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8)
|
chain |
A |
| residue |
1214 |
| type |
|
| sequence |
F
|
| description |
binding site for residue JKN A 1402
|
| source |
: AC2
|
|
|
9)
|
chain |
A |
| residue |
1215 |
| type |
|
| sequence |
A
|
| description |
binding site for residue JKN A 1402
|
| source |
: AC2
|
|
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10)
|
chain |
A |
| residue |
1220 |
| type |
|
| sequence |
K
|
| description |
binding site for residue JKN A 1402
|
| source |
: AC2
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|
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11)
|
chain |
A |
| residue |
1221 |
| type |
|
| sequence |
S
|
| description |
binding site for residue JKN A 1402
|
| source |
: AC2
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|
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12)
|
chain |
A |
| residue |
1224 |
| type |
|
| sequence |
Y
|
| description |
binding site for residue JKN A 1402
|
| source |
: AC2
|
|
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13)
|
chain |
A |
| residue |
1291 |
| type |
|
| sequence |
E
|
| description |
binding site for residue JKN A 1402
|
| source |
: AC2
|
|
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14)
|
chain |
A |
| residue |
1234 |
| type |
|
| sequence |
C
|
| description |
binding site for residue ZN A 1403
|
| source |
: AC3
|
|
|
15)
|
chain |
A |
| residue |
1237 |
| type |
|
| sequence |
H
|
| description |
binding site for residue ZN A 1403
|
| source |
: AC3
|
|
|
16)
|
chain |
A |
| residue |
1242 |
| type |
|
| sequence |
C
|
| description |
binding site for residue ZN A 1403
|
| source |
: AC3
|
|
|
17)
|
chain |
A |
| residue |
1245 |
| type |
|
| sequence |
C
|
| description |
binding site for residue ZN A 1403
|
| source |
: AC3
|
|
|
18)
|
chain |
A |
| residue |
1234 |
| type |
BINDING |
| sequence |
C
|
| description |
BINDING => ECO:0000269|PubMed:18436240, ECO:0007744|PDB:2RF5, ECO:0007744|PDB:3UDD, ECO:0007744|PDB:3UH2, ECO:0007744|PDB:3UH4, ECO:0007744|PDB:4DVI, ECO:0007744|PDB:4I9I, ECO:0007744|PDB:4K4E, ECO:0007744|PDB:4K4F, ECO:0007744|PDB:4KRS, ECO:0007744|PDB:4LI6, ECO:0007744|PDB:4LI8, ECO:0007744|PDB:4MSG, ECO:0007744|PDB:4MSK, ECO:0007744|PDB:4MT9, ECO:0007744|PDB:4N3R, ECO:0007744|PDB:4N4V, ECO:0007744|PDB:4OA7, ECO:0007744|PDB:4TOR, ECO:0007744|PDB:4TOS, ECO:0007744|PDB:4W5S, ECO:0007744|PDB:4W6E
|
| source |
Swiss-Prot : SWS_FT_FI1
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19)
|
chain |
A |
| residue |
1237 |
| type |
BINDING |
| sequence |
H
|
| description |
BINDING => ECO:0000269|PubMed:18436240, ECO:0007744|PDB:2RF5, ECO:0007744|PDB:3UDD, ECO:0007744|PDB:3UH2, ECO:0007744|PDB:3UH4, ECO:0007744|PDB:4DVI, ECO:0007744|PDB:4I9I, ECO:0007744|PDB:4K4E, ECO:0007744|PDB:4K4F, ECO:0007744|PDB:4KRS, ECO:0007744|PDB:4LI6, ECO:0007744|PDB:4LI8, ECO:0007744|PDB:4MSG, ECO:0007744|PDB:4MSK, ECO:0007744|PDB:4MT9, ECO:0007744|PDB:4N3R, ECO:0007744|PDB:4N4V, ECO:0007744|PDB:4OA7, ECO:0007744|PDB:4TOR, ECO:0007744|PDB:4TOS, ECO:0007744|PDB:4W5S, ECO:0007744|PDB:4W6E
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| source |
Swiss-Prot : SWS_FT_FI1
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20)
|
chain |
A |
| residue |
1242 |
| type |
BINDING |
| sequence |
C
|
| description |
BINDING => ECO:0000269|PubMed:18436240, ECO:0007744|PDB:2RF5, ECO:0007744|PDB:3UDD, ECO:0007744|PDB:3UH2, ECO:0007744|PDB:3UH4, ECO:0007744|PDB:4DVI, ECO:0007744|PDB:4I9I, ECO:0007744|PDB:4K4E, ECO:0007744|PDB:4K4F, ECO:0007744|PDB:4KRS, ECO:0007744|PDB:4LI6, ECO:0007744|PDB:4LI8, ECO:0007744|PDB:4MSG, ECO:0007744|PDB:4MSK, ECO:0007744|PDB:4MT9, ECO:0007744|PDB:4N3R, ECO:0007744|PDB:4N4V, ECO:0007744|PDB:4OA7, ECO:0007744|PDB:4TOR, ECO:0007744|PDB:4TOS, ECO:0007744|PDB:4W5S, ECO:0007744|PDB:4W6E
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| source |
Swiss-Prot : SWS_FT_FI1
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21)
|
chain |
A |
| residue |
1245 |
| type |
BINDING |
| sequence |
C
|
| description |
BINDING => ECO:0000269|PubMed:18436240, ECO:0007744|PDB:2RF5, ECO:0007744|PDB:3UDD, ECO:0007744|PDB:3UH2, ECO:0007744|PDB:3UH4, ECO:0007744|PDB:4DVI, ECO:0007744|PDB:4I9I, ECO:0007744|PDB:4K4E, ECO:0007744|PDB:4K4F, ECO:0007744|PDB:4KRS, ECO:0007744|PDB:4LI6, ECO:0007744|PDB:4LI8, ECO:0007744|PDB:4MSG, ECO:0007744|PDB:4MSK, ECO:0007744|PDB:4MT9, ECO:0007744|PDB:4N3R, ECO:0007744|PDB:4N4V, ECO:0007744|PDB:4OA7, ECO:0007744|PDB:4TOR, ECO:0007744|PDB:4TOS, ECO:0007744|PDB:4W5S, ECO:0007744|PDB:4W6E
|
| source |
Swiss-Prot : SWS_FT_FI1
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